N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-nitrophenyl)-3-thienyl]amino]valeramide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-12(2)8-16(18(23)20-7-6-19)21-17-11-26-10-15(17)13-4-3-5-14(9-13)22(24)25/h3-5,9-12,16,21H,7-8H2,1-2H3,(H,20,23)